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{
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"results": [
{
"id": "mp-1194176",
"created_at": "2022-09-04T14:39:18.647789Z",
"structure_string": "Al4 Si4 O18\n1.0\n5.134486 -0.001648 -1.373821\n0.004977 -0.133746 -7.909545\n-0.080094 9.079869 -0.493441\nAl Si O\n4 4 18\ndirect\n0.279479 0.587794 0.479426 Al\n0.332538 0.590861 0.835175 Al\n0.850086 0.576357 0.996208 Al\n0.875438 0.557751 0.306460 Al\n0.036217 0.942096 0.319453 Si\n0.070413 0.926059 0.653295 Si\n0.550920 0.925061 0.828373 Si\n0.555820 0.933533 0.154880 Si\n0.083342 0.727137 0.338663 O\n0.210932 0.707462 0.649947 O\n0.055574 0.007968 0.486346 O\n0.261560 0.990816 0.219772 O\n0.265842 0.005240 0.750359 O\n0.586417 0.712324 0.860097 O\n0.669567 0.718060 0.159061 O\n0.556761 0.012014 0.986012 O\n0.779673 0.961459 0.721079 O\n0.745838 0.020545 0.251872 O\n0.097134 0.699678 0.968506 O\n0.001570 0.435070 0.149270 O\n0.078062 0.442965 0.465169 O\n0.073311 0.476870 0.846161 O\n0.621777 0.632840 0.458110 O\n0.604790 0.383343 0.793261 O\n0.606248 0.402442 0.942752 O\n0.582290 0.470952 0.389292 O\n",
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"formula_full": "Al4 Si4 O18",
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{
"id": "mp-1046301",
"created_at": "2022-09-04T14:39:18.725757Z",
"structure_string": "V4 Zn4 O8\n1.0\n2.949587 0.000000 0.000000\n-1.441956 7.618667 0.000000\n-0.159516 -0.128605 9.455063\nV Zn O\n4 4 8\ndirect\n0.171614 0.831298 0.526041 V\n0.491898 0.524195 0.290186 V\n0.529639 0.493451 0.736380 V\n0.851410 0.186654 0.501281 V\n0.343418 0.068464 0.183002 Zn\n0.692494 0.956178 0.845905 Zn\n0.926561 0.244694 0.001250 Zn\n0.096748 0.784699 0.034732 Zn\n0.421482 0.308442 0.618299 O\n0.098155 0.643219 0.670294 O\n0.923635 0.374901 0.356827 O\n0.600864 0.709275 0.408376 O\n0.742030 0.963881 0.627192 O\n0.006788 0.575040 0.160356 O\n0.281586 0.054442 0.400226 O\n0.014068 0.441831 0.865275 O\n",
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"elements": [
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"volume": 212.4734301147336,
"volume_molar": 7.997155649443428,
"formula_full": "V4 Zn4 O8",
"formula_reduced": "VZnO2",
"formula_anonymous": "ABC2",
"energy": -110.37691881,
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{
"id": "mp-849612",
"created_at": "2022-09-04T14:39:18.735436Z",
"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.257853 0.000000 0.000000\n-2.566619 -4.589221 0.000000\n-0.066921 0.019534 -20.162156\nLi Fe B O\n2 8 8 24\ndirect\n0.667393 0.640893 0.331701 Li\n0.643178 0.669108 0.078919 Li\n0.015503 0.675804 0.188895 Fe\n0.003950 0.674908 0.689556 Fe\n0.314478 0.010077 0.061939 Fe\n0.328153 0.997280 0.565542 Fe\n0.676751 0.017386 0.439289 Fe\n0.674277 0.002937 0.939516 Fe\n0.006943 0.314899 0.312746 Fe\n0.998174 0.325218 0.814488 Fe\n0.995987 0.341204 0.063836 B\n0.998772 0.337934 0.564516 B\n0.670734 0.010650 0.186722 B\n0.664382 0.004944 0.688784 B\n0.335525 0.995112 0.314247 B\n0.341976 0.997359 0.813666 B\n0.010308 0.669528 0.438296 B\n0.004080 0.664826 0.937837 B\n0.885356 0.273714 0.211874 O\n0.874594 0.270695 0.715590 O\n0.743847 0.090628 0.040852 O\n0.966770 0.579494 0.086619 O\n0.731994 0.123388 0.538081 O\n0.010899 0.594339 0.588349 O\n0.402770 0.980002 0.168141 O\n0.786241 0.726252 0.428161 O\n0.406176 0.989405 0.664425 O\n0.764523 0.699715 0.940647 O\n0.719184 0.778785 0.178700 O\n0.708990 0.773200 0.686173 O\n0.351424 0.260121 0.315983 O\n0.294381 0.227652 0.815797 O\n0.259025 0.353476 0.064873 O\n0.572551 0.963208 0.337510 O\n0.232031 0.295045 0.566223 O\n0.599266 0.010281 0.837045 O\n0.982897 0.405820 0.417344 O\n0.982568 0.402600 0.914544 O\n0.272334 0.878080 0.466664 O\n0.272679 0.881902 0.960120 O\n0.083425 0.745418 0.291123 O\n0.129176 0.730382 0.786829 O\n",
"nsites": 42,
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"elements": [
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"B",
"O"
],
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"density": 3.178105556615889,
"density_atomic": 0.0863306294927406,
"volume": 486.5017230475739,
"volume_molar": 6.9756710861310145,
"formula_full": "Li2 Fe8 B8 O24",
"formula_reduced": "LiFe4(BO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -337.60816697,
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{
"id": "mp-767424",
"created_at": "2022-09-04T14:39:18.744092Z",
"structure_string": "K2 Li2 Sb6 O16\n1.0\n6.486330 0.000000 0.000000\n1.670870 7.462626 0.000000\n1.533346 0.201357 7.538577\nK Li Sb O\n2 2 6 16\ndirect\n0.810041 0.971415 0.999803 K\n0.308778 0.986373 0.975544 K\n0.440398 0.780527 0.493878 Li\n0.813020 0.524961 0.221991 Li\n0.920217 0.815666 0.508191 Sb\n0.171095 0.486187 0.833627 Sb\n0.667489 0.491849 0.827852 Sb\n0.315902 0.523101 0.195393 Sb\n0.093123 0.178960 0.474980 Sb\n0.583136 0.180546 0.477549 Sb\n0.080663 0.961146 0.630594 O\n0.633359 0.971274 0.645301 O\n0.930921 0.648821 0.723190 O\n0.393952 0.606714 0.705393 O\n0.958177 0.344905 0.935702 O\n0.406999 0.348105 0.974206 O\n0.218698 0.711908 0.374200 O\n0.749423 0.717185 0.385173 O\n0.275515 0.283424 0.627844 O\n0.783044 0.296340 0.588347 O\n0.100818 0.647666 0.044318 O\n0.545677 0.645505 0.058065 O\n0.092457 0.380789 0.301440 O\n0.565078 0.380853 0.300350 O\n0.903548 0.053843 0.339493 O\n0.398070 0.061933 0.357577 O\n",
"nsites": 26,
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"elements": [
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"Li",
"Sb",
"O"
],
"chemical_system": "K-Li-O-Sb",
"density": 4.908413001735371,
"density_atomic": 0.07125137599553395,
"volume": 364.90523357232684,
"volume_molar": 8.451964156281653,
"formula_full": "K2 Li2 Sb6 O16",
"formula_reduced": "KLiSb3O8",
"formula_anonymous": "ABC3D8",
"energy": -160.29482059,
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"updated_at": "2021-11-28T01:34:26.476000Z",
"spacegroup": 1
},
{
"id": "mp-1224558",
"created_at": "2022-09-04T14:39:18.760704Z",
"structure_string": "H16 S4 N4 O6\n1.0\n5.173142 3.324041 -0.281808\n5.184102 -3.344776 -0.311051\n-0.004605 -0.041561 -8.900396\nH S N O\n16 4 4 6\ndirect\n0.206520 0.692788 0.269797 H\n0.306028 0.794808 0.730609 H\n0.024188 0.561947 0.219774 H\n0.438512 0.975121 0.777284 H\n0.091883 0.027570 0.067988 H\n0.972936 0.908523 0.942677 H\n0.154877 0.500646 0.392683 H\n0.496190 0.842633 0.604362 H\n0.799046 0.086912 0.077826 H\n0.913545 0.199735 0.929292 H\n0.324523 0.396007 0.238889 H\n0.604426 0.677197 0.761609 H\n0.759104 0.155051 0.414874 H\n0.839399 0.277145 0.562798 H\n0.581646 0.242508 0.567097 H\n0.849653 0.000950 0.580976 H\n0.526167 0.889200 0.268903 S\n0.117887 0.475979 0.727490 S\n0.677403 0.656560 0.107212 S\n0.341893 0.329656 0.894823 S\n0.944702 0.055791 0.003949 N\n0.176198 0.539130 0.279322 N\n0.460516 0.824377 0.719190 N\n0.759973 0.168816 0.530363 N\n0.260454 0.975664 0.263405 O\n0.028944 0.743320 0.726760 O\n0.594279 0.097340 0.241371 O\n0.909265 0.410031 0.745801 O\n0.614798 0.773725 0.418311 O\n0.246945 0.385171 0.581964 O\n",
"nsites": 30,
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"elements": [
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"S",
"N",
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],
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"density_atomic": 0.09759918329816646,
"volume": 307.3796212858637,
"volume_molar": 6.170277820463212,
"formula_full": "H16 S4 N4 O6",
"formula_reduced": "H8S2N2O3",
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"spacegroup": 1
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{
"id": "mp-1234292",
"created_at": "2022-09-04T14:39:18.816265Z",
"structure_string": "Mg1 V8 O8 F8\n1.0\n-4.871411 0.016848 0.028254\n0.037543 4.799469 -9.327284\n0.037135 -4.795913 -3.110950\nMg V O F\n1 8 8 8\ndirect\n0.000310 0.121073 0.616443 Mg\n0.483361 0.274588 0.723829 V\n0.510283 0.978462 0.520037 V\n0.516244 0.731477 0.266933 V\n0.481473 0.519395 0.988626 V\n0.991534 0.247457 0.195483 V\n0.009359 0.761564 0.749519 V\n0.976990 0.485961 0.494320 V\n0.013277 0.002061 0.042671 V\n0.829393 0.305603 0.530223 O\n0.842149 0.067927 0.316187 O\n0.689045 0.802485 0.534900 O\n0.697496 0.557805 0.272406 O\n0.311631 0.435935 0.709374 O\n0.305367 0.681818 0.978283 O\n0.152212 0.936805 0.729031 O\n0.182291 0.174236 0.915483 O\n0.819168 0.573784 0.777052 F\n0.810573 0.823277 0.044433 F\n0.673893 0.077502 0.807167 F\n0.664553 0.334946 0.015762 F\n0.327251 0.913348 0.226163 F\n0.331206 0.178305 0.439564 F\n0.185608 0.669079 0.471961 F\n0.181445 0.426356 0.205578 F\n",
"nsites": 25,
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"density": 4.067003213414502,
"density_atomic": 0.0860192379913409,
"volume": 290.6326605975819,
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"formula_full": "Mg1 V8 O8 F8",
"formula_reduced": "MgV8(OF)8",
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"energy": -196.9179187,
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{
"id": "mp-771646",
"created_at": "2022-09-04T14:39:18.950701Z",
"structure_string": "Li8 V2 Ga6 O16\n1.0\n-5.526491 0.004306 5.092090\n5.531525 0.000881 5.097525\n-0.004522 6.488614 -5.091520\nLi V Ga O\n8 2 6 16\ndirect\n0.523246 0.604956 0.624895 Li\n0.023182 0.104910 0.624783 Li\n0.853539 0.273883 0.123966 Li\n0.353606 0.773974 0.123974 Li\n0.396700 0.980538 0.873617 Li\n0.896645 0.480609 0.873629 Li\n0.732461 0.648012 0.377055 Li\n0.232395 0.147951 0.377048 Li\n0.773285 0.857018 0.127719 V\n0.273317 0.356940 0.127694 V\n0.604293 0.021734 0.626604 Ga\n0.104281 0.521716 0.626589 Ga\n0.147748 0.730241 0.377953 Ga\n0.647842 0.230039 0.377855 Ga\n0.475719 0.392068 0.869810 Ga\n0.975527 0.891808 0.869677 Ga\n0.081006 0.148489 0.110130 O\n0.581050 0.648412 0.109932 O\n0.326127 0.420283 0.637994 O\n0.826136 0.920257 0.638033 O\n0.164113 0.582837 0.138838 O\n0.664144 0.082806 0.139027 O\n0.408337 0.835457 0.612728 O\n0.908407 0.335439 0.612775 O\n0.976603 0.544043 0.389276 O\n0.476590 0.044027 0.389284 O\n0.187377 0.780282 0.859974 O\n0.687448 0.280280 0.859978 O\n0.036757 0.940594 0.369104 O\n0.536676 0.440739 0.369036 O\n0.291498 0.218596 0.880542 O\n0.791543 0.718662 0.880482 O\n",
"nsites": 32,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-Li-O-V",
"density": 3.7766448440806952,
"density_atomic": 0.08750235704863081,
"volume": 365.7044344784392,
"volume_molar": 6.882261190579244,
"formula_full": "Li8 V2 Ga6 O16",
"formula_reduced": "Li4VGa3O8",
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"energy": -206.54012787,
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{
"id": "mp-1101121",
"created_at": "2022-09-04T14:39:18.980383Z",
"structure_string": "Ti20 Se19\n1.0\n12.132901 0.005052 12.128714\n4.852627 6.235034 4.853749\n-2.170132 0.003048 7.021388\nTi Se\n20 19\ndirect\n0.172195 0.192870 0.005030 Ti\n0.025490 0.307293 0.507671 Ti\n0.371808 0.192373 0.006782 Ti\n0.226021 0.305005 0.507023 Ti\n0.171874 0.696418 0.493778 Ti\n0.027887 0.805970 0.994429 Ti\n0.572585 0.189589 0.005989 Ti\n0.427806 0.305166 0.506827 Ti\n0.374917 0.692660 0.493336 Ti\n0.229473 0.806746 0.993821 Ti\n0.770823 0.192480 0.006499 Ti\n0.627417 0.302808 0.507313 Ti\n0.575011 0.693014 0.495182 Ti\n0.431141 0.803978 0.993162 Ti\n0.969778 0.200284 0.001158 Ti\n0.825534 0.310964 0.505413 Ti\n0.772062 0.693275 0.494457 Ti\n0.629622 0.802714 0.990026 Ti\n0.972362 0.695262 0.491902 Ti\n0.831198 0.803084 0.990369 Ti\n0.058954 0.085345 0.281191 Se\n0.261886 0.077297 0.284545 Se\n0.020466 0.426167 0.789233 Se\n0.175291 0.578539 0.215417 Se\n0.224237 0.422169 0.783845 Se\n0.464241 0.074038 0.283548 Se\n0.376454 0.577206 0.215624 Se\n0.137288 0.922744 0.717296 Se\n0.663664 0.073472 0.283045 Se\n0.424205 0.421186 0.785854 Se\n0.579258 0.576722 0.216776 Se\n0.339465 0.920674 0.714432 Se\n0.624475 0.420981 0.785362 Se\n0.861204 0.085397 0.281648 Se\n0.538832 0.920834 0.714829 Se\n0.822310 0.426260 0.791245 Se\n0.972555 0.578224 0.215096 Se\n0.739514 0.916924 0.715355 Se\n0.936700 0.923867 0.715493 Se\n",
"nsites": 39,
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"elements": [
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"formula_full": "Ti20 Se19",
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"energy": -274.00989204,
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},
{
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"formula_full": "Mg1 Ag4 P4 O12",
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{
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"formula_full": "Li4 Co1 Ni5 P6 O24",
"formula_reduced": "Li4CoNi5(PO4)6",
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{
"id": "mp-1175846",
"created_at": "2022-09-04T14:39:18.931008Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.934155 0.000000 0.000000\n2.835163 7.159400 0.000000\n2.949457 2.340093 6.786487\nLi Mn Co O\n9 2 5 16\ndirect\n0.377401 0.621630 0.131546 Li\n0.248338 0.251856 0.251858 Li\n0.618845 0.379934 0.865072 Li\n0.502494 0.998176 0.997546 Li\n0.870682 0.130439 0.622401 Li\n0.751869 0.749597 0.749013 Li\n0.132780 0.866280 0.382156 Li\n0.994358 0.502145 0.502886 Li\n0.499658 0.499081 0.499813 Li\n0.001017 0.000636 0.998452 Mn\n0.747268 0.251882 0.250290 Mn\n0.878279 0.618007 0.133010 Co\n0.616375 0.866748 0.376913 Co\n0.377020 0.132600 0.622801 Co\n0.263248 0.742291 0.746064 Co\n0.131602 0.386260 0.860365 Co\n0.993337 0.764068 0.234510 O\n0.869751 0.375493 0.356797 O\n0.239393 0.501518 0.994746 O\n0.097287 0.133876 0.114626 O\n0.481886 0.241912 0.749889 O\n0.344905 0.885179 0.880143 O\n0.742172 0.014349 0.478971 O\n0.606724 0.640676 0.631496 O\n0.758551 0.486929 0.019301 O\n0.656479 0.122403 0.124798 O\n0.005638 0.233307 0.764233 O\n0.894138 0.868997 0.888183 O\n0.262631 0.996367 0.509078 O\n0.116440 0.617516 0.642833 O\n0.515473 0.760632 0.252036 O\n0.403963 0.359218 0.368167 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Li3 V4 O7 F5\n1.0\n5.129757 -0.054855 0.097093\n-2.494842 1.508429 4.490406\n2.729685 -7.437331 4.588936\nLi V O F\n3 4 7 5\ndirect\n0.310232 0.761402 0.154073 Li\n0.279306 0.216822 0.655637 Li\n0.807439 0.494329 0.898451 Li\n0.988906 0.512025 0.503585 V\n0.069083 0.045464 0.000893 V\n0.531395 0.325638 0.263737 V\n0.477945 0.733895 0.760311 V\n0.248337 0.923299 0.817776 O\n0.259429 0.444982 0.313024 O\n0.370500 0.183141 0.066816 O\n0.126398 0.363275 0.869162 O\n0.866682 0.623510 0.125227 O\n0.621447 0.325669 0.429700 O\n0.732919 0.578633 0.682387 O\n0.159979 0.890855 0.359368 F\n0.362556 0.681494 0.570977 F\n0.615163 0.793416 0.944206 F\n0.728781 0.063603 0.174371 F\n0.881754 0.134173 0.629425 F\n",
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]
}